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PDBsum entry 2z94
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References listed in PDB file
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Key reference
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Title
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Structural basis of mercury- And zinc-Conjugated complexes as sars-Cov 3c-Like protease inhibitors.
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Authors
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C.C.Lee,
C.J.Kuo,
M.F.Hsu,
P.H.Liang,
J.M.Fang,
J.J.Shie,
A.H.Wang.
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Ref.
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Febs Lett, 2007,
581,
5454-5458.
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PubMed id
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Abstract
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Five active metal-conjugated inhibitors (PMA, TDT, EPDTC, JMF1586 and JMF1600)
bound with the 3C-like protease of severe acute respiratory syndrome
(SARS)-associated coronavirus were analyzed crystallographically. The complex
structures reveal two major inhibition modes: Hg(2+)-PMA is coordinated to
C(44), M(49) and Y(54) with a square planar geometry at the S3 pocket, whereas
each Zn(2+) of the four zinc-inhibitors is tetrahedrally coordinated to the
H(41)-C(145) catalytic dyad. For anti-SARS drug design, this Zn(2+)-centered
coordination pattern would serve as a starting platform for inhibitor
optimization.
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